Summary

IMPPAT Phytochemical identifier: IMPHY016996

Phytochemical name: 12-Oxabicyclo[9.1.0]dodeca-3,7-diene

Synonymous chemical names:
12-oxabicyclo[9.1.0]dodeca-3,7-diene, 12-oxabicyclo[9.1.0]dodeca-3,7-diene c

External chemical identifiers:
CID:118325754, SureChEMBL:SCHEMBL17027683

---

Chemical structure information

SMILES:
C1C/C=CCC2C(CC/C=C1)O2

InChI:
InChI=1S/C11H16O/c1-2-4-6-8-10-11(12-10)9-7-5-3-1/h2,4-5,7,10-11H,1,3,6,8-9H2/b4-2-,7-5-

InChIKey:
UXIDQHJXTXQPNK-ILNZVKDWSA-N

DeepSMILES:
CC/C=CCCCCC/C=C%11))))O3

Functional groups:
C/C=CC, CC1OC1C

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCC2OC2CC=CCC1

Scaffold Graph/Node level:
C1CCCCC2OC2CCCC1

Scaffold Graph level:
C1CCCCC2CC2CCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Epoxides

NP-Likeness score: 1.585

---

Chemical structure download